3-(4-chloranyl-3-methyl-phenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-yl)propyl]thiourea

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-yl)propyl]thiourea Openeye Name: 3-(4-chloro-3-methyl-phenyl)-1-(2-furylmethyl)-1-[3-(3-methyl-1-piperidyl)propyl]thiourea CAS Name: 3-(4-chloro-3-methylphenyl)-1-(2-furanylmethyl)-1-[3-(3-methyl-1-piperidinyl)propyl]thiourea IUPAC Name: 3-(4-chloro-3-methylphenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-yl)propyl]thiourea Traditional Name: 3-(4-chloro-3-methyl-phenyl)-1-(2-furfuryl)-1-[3-(3-methylpiperidino)propyl]thiourea Formula: C22H30ClN3OS MolecularWeight: 420.0111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CC1CCCN(C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C22H30ClN3OS/c1-17-6-3-10-25(15-17)11-5-12-26(16-20-7-4-13-27-20)22(28)24-19-8-9-21(23)18(2)14-19/h4,7-9,13-14,17H,3,5-6,10-12,15-16H2,1-2H3,(H,24,28)